Vitas-M small molecule compound
ethyl (2Z)-2-[3-chloro-5-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-5-(2-methoxynaphthalen-1-yl)-3-oxo-7-propyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK060289
SMILES C#CCOc1c(Cl)cc(cc1OC)/C=c/1\sc2=NC(=C(C(n2c1=O)c1c(OC)ccc2c1cccc2)C(=O)OCC)CCC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C34H31ClN2O6S MW 631.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31ClN2O6S/c1-6-11-24-29(33(39)42-8-3)30(28-22-13-10-9-12-21(22)14-15-25(28)40-4)37-32(38)27(44-34(37)36-24)19-20-17-23(35)31(43-16-7-2)26(18-20)41-5/h2,9-10,12-15,17-19,30H,6,8,11,16H2,1,3-5H3/b27-19-InChIKey
ALKCLIPUFSFGOU-DIBXZPPDSA-NSynonyms
C#CCOc1c(Cl)cc(cc1OC)C=c1sc2=NC(=C(C(n2c1=O)c1c(OC)ccc2c1cccc2)C(=O)OCC)CCC
CCCC1=C(C(N2C(=O)C(=CC3=CC(=C(C(=C3)Cl)OCC#C)OC)SC2=N1)C4=C(C=CC5=CC=CC=C54)OC)C(=O)OCC
ETHYL(2Z)2((3CHLORO5METHOXY4PROP2YNOXYPHENYL)METHYLIDENE)5(2METHOXYNAPHTHALEN1YL)3OXO7PROPYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)2(3CHLORO5METHOXY4(PROP2YN1YLOXY)BENZYLIDENE)5(2METHOXYNAPHTHALEN1YL)3OXO7PROPYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL2(3CHLORO5METHOXY4(2PROPYNYLOXY)BENZYLIDENE)5(2METHOXY1NAPHTHYL)3OXO7PROPYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC34H31ClN2O6Sc16112429(33(39)4283)30(2822131091221(22)141525(28)404)3732(38)27(4434(37)3624)19201723(35)31(431672)26(1820)415h29101215171930H681116H2135H3b2719
MFCD03068368
STK060289
ZINC000008383821
ZINC000008383823
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