Vitas-M small molecule compound
methyl (2Z)-7-methyl-2-({1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL367378
SMILES COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C/c1cn(c3c1cccc3)CC(=O)N1CCCCC1C)/s2
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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 C30H30N4O4S2 MW 574.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N4O4S2/c1-18-9-6-7-13-33(18)25(35)17-32-16-20(21-10-4-5-11-22(21)32)15-24-28(36)34-27(23-12-8-14-39-23)26(29(37)38-3)19(2)31-30(34)40-24/h4-5,8,10-12,14-16,18,27H,6-7,9,13,17H2,1-3H3/b24-15-InChIKey
VFVLHWZIYKWRLS-IWIPYMOSSA-NSynonyms
CC1CCCCN1C(=O)CN2C=C(C3=CC=CC=C32)C=C4C(=O)N5C(C(=C(N=C5S4)C)C(=O)OC)C6=CC=CS6
COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1cn(c3c1cccc3)CC(=O)N1CCCCC1C)s2
InChI=1SC30H30N4O4S2c1189671333(18)25(35)17321620(2110451122(21)32)152428(36)3427(23128143923)26(29(37)383)19(2)3130(34)4024h458101214161827H6791317H213H3b2415
methyl(2Z)7methyl2((1(2(2methylpiperidin1yl)2oxoethyl)1Hindol3yl)methylidene)3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2Z)7methyl2((1(2(2methylpiperidin1yl)2oxoethyl)indol3yl)methylidene)3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL7METHYL2((1(2(2METHYL1PIPERIDINYL)2OXOETHYL)1HINDOL3YL)METHYLENE)3OXO5(2THIENYL)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD03216468
ZINC000000995450
ZINC000008453627
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