Vitas-M small molecule compound
3-(6,7-dimethoxy-4-oxoquinazolin-3(4H)-yl)-N-[(2E)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]propanamide
Catalog ID
STK655519
SMILES COc1cc2ncn(c(=O)c2cc1OC)CCC(=O)/N=c/1\[nH]c2c(s1)cc(cc2)S(=O)(=O)C
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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 C21H20N4O6S2 MW 488.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O6S2/c1-30-16-9-13-15(10-17(16)31-2)22-11-25(20(13)27)7-6-19(26)24-21-23-14-5-4-12(33(3,28)29)8-18(14)32-21/h4-5,8-11H,6-7H2,1-3H3,(H,23,24,26)InChIKey
PNQHVQAYFYRPIH-UHFFFAOYSA-NSynonyms
1144449-36-41144449364
3(67dimethoxy4oxoquinazolin3(4H)yl)N((2E)6(methylsulfonyl)13benzothiazol2(3H)ylidene)propanamide
3(67dimethoxy4oxoquinazolin3yl)N(6methylsulfonyl13benzothiazol2yl)propanamide
COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)OC
COc1cc2ncn(c(=O)c2cc1OC)CCC(=O)N=c1(nH)c2c(s1)cc(cc2)S(=O)(=O)C
InChI=1SC21H20N4O6S2c1301691315(1017(16)312)221125(20(13)27)7619(26)242123145412(33(328)29)818(14)3221h45811H67H213H3(H232426)
MFCD18167381
ZINC000032073487
ZINC32073487
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