Vitas-M small molecule compound
(5Z)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-[3-methoxy-4-(pentyloxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK515935
SMILES CCCCCOc1ccc(cc1OC)/C=c/1\sc2n(c1=O)nc(n2)/C=C/c1ccc(c(c1)OC)OC
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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 C27H29N3O5S MW 507.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O5S/c1-5-6-7-14-35-21-12-9-19(16-23(21)34-4)17-24-26(31)30-27(36-24)28-25(29-30)13-10-18-8-11-20(32-2)22(15-18)33-3/h8-13,15-17H,5-7,14H2,1-4H3/b13-10+,24-17-InChIKey
NEQMBRWBTAIDJR-PINRWWFUSA-NSynonyms
(5Z)2((E)2(34dimethoxyphenyl)ethenyl)5((3methoxy4pentoxyphenyl)methylidene)(13)thiazolo(32b)(124)triazol6one
(5Z)2((E)2(34dimethoxyphenyl)ethenyl)5(3methoxy4(pentyloxy)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C=CC4=CC(=C(C=C4)OC)OC)S2)OC
CCCCCOc1ccc(cc1OC)C=c1sc2n(c1=O)nc(n2)C=Cc1ccc(c(c1)OC)OC
InChI=1SC27H29N3O5Sc156714352112919(1623(21)344)172426(31)3027(3624)2825(2930)13101881120(322)22(1518)333h8131517H5714H214H3b1310+2417
MFCD06645461
ZINC000016742153
ZINC16742153
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